Methyl 3-(4-hydroxyphenyl)benzoate

Base Information

• Chemical Name: Methyl 3-(4-hydroxyphenyl)benzoate
• CAS No.: 192376-76-4
• Molecular Formula: C14H12 O3
• Molecular Weight: 228.247
• Hs Code.: 2922299090
• European Community (EC) Number: 624-565-3
• DSSTox Substance ID: DTXSID10408275
• Wikidata: Q82213692
• Mol file: 192376-76-4.mol

Synonyms:192376-76-4;Methyl 3-(4-hydroxyphenyl)benzoate;Methyl 4'-hydroxy-[1,1'-biphenyl]-3-carboxylate;4-(3-METHOXYCARBONYLPHENYL)PHENOL;4'-Hydroxybiphenyl-3-carboxylic acid methyl ester;Methyl 4'-hydroxybiphenyl-3-carboxylate;4/'-HYDROXYBIPHENYL-3-CARBOXYLIC ACID METHYL ESTER;SCHEMBL1661764;3'-Methoxycarbonylbiphenyl-4-ol;DTXSID10408275;ZWSVMMHYHQNTKA-UHFFFAOYSA-N;[1,1'-Biphenyl]-3-carboxylic acid, 4'-hydroxy-, methyl ester;MFCD06409246;AKOS004113816;BS-21984;Methyl 3-(4-hydroxyphenyl)benzoate, 97%;BB 0222658;CS-0204801;FT-0736654;methyl 4'-hydroxy[1,1'-biphenyl]-3-carboxylate;A919114;Methyl4'-hydroxy-[1,1'-biphenyl]-3-carboxylate;4-HYDROXYBIPHENYL-3-CARBOXYLICACIDMETHYLESTER

Chemical Property of Methyl 3-(4-hydroxyphenyl)benzoate

Chemical Property:

• Melting Point: 128-132 °C(lit.)
• Boiling Point: 391.4°Cat760mmHg
• Flash Point: 168.9°C
• PSA: 46.53000
• Density: 1.194g/cm³
• LogP: 2.84580
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 228.078644241
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

99.0%Min ^*data from raw suppliers

Methyl 3-(4-hydroxyphenyl)benzoate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,N
• Statements: 37/38-41-50/53
• Safety Statements: 26-36-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)O
• Uses: Methyl 3-(4-Hydroxyphenyl)benzoate acts as a reagent in the synthesis of mannoside bacterial FimH antagonists with great potentials in the treatment of urinary tract infections.

Technology Process of Methyl 3-(4-hydroxyphenyl)benzoate

There total 1 articles about Methyl 3-(4-hydroxyphenyl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

4'-hydroxy-1,1'-biphenyl-3-carboxylic acid (121629-21-8) → methyl 4’-hydroxy-[1,1’-biphenyl]-3-carboxylate (192376-76-4)

Guidance literature:

With sodium bicarbonate; sulfuric acid; In methanol;

Reference yield: 81.0%

methyl 4’-hydroxy-[1,1’-biphenyl]-3-carboxylate (192376-76-4) + per-O-acetyl-α-D-mannopyranose (4163-65-9) → methyl 3-[4-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]benzoate (1231608-65-3)

Guidance literature:

With boron trifluoride diethyl etherate; In dichloromethane; at 0 ℃; Inert atmosphere; Reflux;

DOI:10.1021/jm100438s

Reference yield: 70.0%

methyl 4’-hydroxy-[1,1’-biphenyl]-3-carboxylate (192376-76-4) + C22H22Cl2O6 → 4'-[2-((3-(4-[(2-(4-chlorophenoxy)-2-methylpropionyl)oxy]-3-methoxyphenyl)acryloyl)oxy)ethoxy]biphenyl-3-carboxylic acid methyl ester

Guidance literature:

With potassium carbonate; In acetonitrile; Reflux;

upstream raw materials:

4'-hydroxy-1,1'-biphenyl-3-carboxylic acid

Downstream raw materials:

3'-hydroxymethylbiphenyl-4-ol

methyl 3-[4-[(2S,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-tetrahydropyran-2-yl]oxyphenyl]benzoate

methyl 3-[4-[(2R,3R,4S,5R,6R)-3,4,5-tribenzoyloxy-6-(benzoyloxymethyl)-tetrahydropyran-2-yl]oxyphenyl]benzoate

methyl 3-[4-[(2R,3S,4S,5R,6R)-3,4,5-triacetoxy-6-(acetoxymethyl)tetrahydropyran-2-yl]oxyphenyl]benzoate

Refernces